General Information of the Compound
| Compound ID |
CP0506896
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| Compound Name |
US8772297, Y147
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| Structure |
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| Formula |
C25H34N4O7S2
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| Molecular Weight |
566.702
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| Canonical SMILES |
CC(=O)Nc1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H34N4O7S2/c1-18(30)27-22-10-5-6-11-23(22)28-38(34,35)21-9-7-8-20(16-21)37(32,33)26-17-19-12-14-29(15-13-19)24(31)36-25(2,3)4/h5-11,16,19,26,28H,12-15,17H2,1-4H3,(H,27,30)
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| InChIKey |
QKEJWAWYOXYNGG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound